1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

C16H20N4O — CID 45214486

IUPAC1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3cccnc3)[nH]2)CC1=O
InChIInChI=1S/C16H20N4O/c1-11(2)9-20-10-13(6-15(20)21)16-18-8-14(19-16)12-4-3-5-17-7-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyAMGOPACGORPABY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (PubChem CID 45214486) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
PubChem CID45214486
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3cccnc3)[nH]2)CC1=O
InChIInChI=1S/C16H20N4O/c1-11(2)9-20-10-13(6-15(20)21)16-18-8-14(19-16)12-4-3-5-17-7-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyAMGOPACGORPABY-UHFFFAOYSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (CID 45214486) is 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is CC(C)CN1CC(c2ncc(-c3cccnc3)[nH]2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The InChIKey is AMGOPACGORPABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)9-20-10-13(6-15(20)21)16-18-8-14(19-16)12-4-3-5-17-7-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 45214486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).